3-[(2,4-dichlorophenyl)carbonyl-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(1-benzyloxycarbonyl-4-piperidyl)methyl-(2,4-dichlorobenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-[(1-phenylmethoxycarbonyl-4-piperidinyl)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1-carbobenzoxy-4-piperidyl)methyl-(2,4-dichlorobenzoyl)amino]-5-phenyl-2-thenoic acid Formula: C32H28Cl2N2O5S MolecularWeight: 623.54612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C32H28Cl2N2O5S/c33-24-11-12-25(26(34)17-24)30(37)36(27-18-28(42-29(27)31(38)39)23-9-5-2-6-10-23)19-21-13-15-35(16-14-21)32(40)41-20-22-7-3-1-4-8-22/h1-12,17-18,21H,13-16,19-20H2,(H,38,39)